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- W2078252251 abstract "Abstract A new approach for obtaining a molecular Hamiltonian in the relative nuclear-electronic coordinates is proposed. This approach results from invariance of the molecular Hamiltonian under the Galillei transformation which connects any two space–time points and defines the relative nuclear-electronic phase. The simplest invariant of the Galillei transformation is formed by a quantum oscillator and an electronic pair correlated by the same value of the relative nuclear-electronic phase. Such a quantum oscillator with a relative phase has the properties closely corresponding to the ones observed in a hydrogen bond. Extension of this new approach to the solid state quantum mechanics is outlined and illustrated by an application to the superconductivity theory." @default.
- W2078252251 created "2016-06-24" @default.
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- W2078252251 date "2006-09-01" @default.
- W2078252251 modified "2023-09-26" @default.
- W2078252251 title "Space–time symmetry elements in molecular quantum mechanics: The hydrogen bond" @default.
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- W2078252251 doi "https://doi.org/10.1016/j.chemphys.2006.06.006" @default.
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